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278180-95-3

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Basic Information
CAS No.: 278180-95-3
Name: 3-Acetyl-7-methylindole
Molecular Structure:
Molecular Structure of 278180-95-3 (3-Acetyl-7-methylindole)
Formula: C11H11NO
Molecular Weight: 173.214
Synonyms: 1-(7-methyl-1H-indol-3-yl)ethanone;3-acetyl-7-methylindole;
Density: 1.157 g/cm3
Boiling Point: 339.889 °C at 760 mmHg
Flash Point: 167.329 °C
PSA: 32.86000
LogP: 2.67890
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Specification

The Ethanone,1-(7-methyl-1H-indol-3-yl)-, with the CAS registry number 278180-95-3, has the systematic name of 1-(7-methyl-1H-indol-3-yl)ethanone. It belongs to the product category of Indole. And the molecular formula of the chemical is C11H11NO.

The characteristics of Ethanone,1-(7-methyl-1H-indol-3-yl)- are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.038; (6)ACD/BCF (pH 7.4): 13.038; (7)ACD/KOC (pH 5.5): 218.721; (8)ACD/KOC (pH 7.4): 218.721; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.86 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 53.381 cm3; (15)Molar Volume: 149.677 cm3; (16)Polarizability: 21.162×10-24cm3; (17)Surface Tension: 47.789 dyne/cm; (18)Density: 1.157 g/cm3; (19)Flash Point: 167.329 °C; (20)Enthalpy of Vaporization: 58.339 kJ/mol; (21)Boiling Point: 339.889 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cccc2c1[nH]cc2C(=O)C
(2)InChI: InChI=1/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3
(3)InChIKey: LJRVPYJAWOKMGL-UHFFFAOYAU